N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O2 — CID 78924340

IUPACN-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CCCO1
InChIInChI=1S/C10H17F3N2O2/c1-7(8-3-2-4-17-8)15-9(16)5-14-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyVOPWUFMVRKCOPW-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.82
Rot. Bonds5

About N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924340) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924340
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CCCO1
InChIInChI=1S/C10H17F3N2O2/c1-7(8-3-2-4-17-8)15-9(16)5-14-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyVOPWUFMVRKCOPW-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924340) is N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VOPWUFMVRKCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(8-3-2-4-17-8)15-9(16)5-14-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).